2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide

C15H24N2O — CID 54870401

IUPAC2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCCC(C)NCC(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-5-13(3)16-10-15(18)17(4)11-14-8-6-7-12(2)9-14/h6-9,13,16H,5,10-11H2,1-4H3
InChIKeyFEFZOKNBJQAMEU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds6

About 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide

2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 54870401) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
PubChem CID54870401
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCCC(C)NCC(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-5-13(3)16-10-15(18)17(4)11-14-8-6-7-12(2)9-14/h6-9,13,16H,5,10-11H2,1-4H3
InChIKeyFEFZOKNBJQAMEU-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958541
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 115186654
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-amino-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181119

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide (CID 54870401) is 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide is CCC(C)NCC(=O)N(C)Cc1cccc(C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is FEFZOKNBJQAMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-13(3)16-10-15(18)17(4)11-14-8-6-7-12(2)9-14/h6-9,13,16H,5,10-11H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 54870401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).